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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323648

Synonym: None

IUPAC Name: methyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoate

Structure

SMILES: COC(=O)[C@H](CC1=CC=C([N+](=O)[O-])C=C1)N=C(O)C1=CC=CC2=CC=CC=C12

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InChI: InChI=1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1

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InChIKey: VMFGCGRAIBLAFY-IBGZPJMESA-N

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Reference

PubChem CID: 10474776

CAS: 247580-43-4

NPASS: NPC484135

Source

Species Genus Family Order Class Phylum Kingdom Domain
Myristica fragrans Myristica Myristicaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 378.38400000000007

TPSA？: 102.03

MolLogP？: 3.836900000000002

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens C-C chemokine receptor type 3 EC50 780.0 nM 10.1021/acs.jnatprod.6b00262
Homo sapiens C-C chemokine receptor type 3 IC50 5.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 5.0 nM 10.1016/s0960-894x(01)00249-9
Homo sapiens C-C chemokine receptor type 3 IC50 5.0 nM 10.1016/s0960-894x(03)00748-0
Homo sapiens C-C chemokine receptor type 3 IC50 7.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 20.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 25.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 32.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 35.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 38.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 55.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens C-C chemokine receptor type 3 IC50 330.0 nM 10.1016/s0960-894x(01)00248-7
Homo sapiens Histone deacetylase 6 Inhibition -4.72 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 10.48 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens IC50 38.0 nM 10.1016/s0960-894x(01)00249-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 19.04 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.07 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 30.17 % 10.21203/rs.3.rs-23951/v1
None No relevant target LogD7.4 3.58 None 10.6019/CHEMBL3301361

Metabolism Information